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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50318569'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM50318569
PNG
(2-(4-(6-Cyano-2-(4-(dimethylamino)phenyl)-3H-imida...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30)
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n/an/a 50n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318569
PNG
(2-(4-(6-Cyano-2-(4-(dimethylamino)phenyl)-3H-imida...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C#N)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Show InChI InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair